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Title: Materials Data on PrCo4B by Materials Project

Abstract

PrCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Pr–Co bond lengths are 2.94 Å. All Pr–B bond lengths are 2.96 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.96 Å) and twelve longer (3.24 Å) Pr–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to four Pr, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Co atoms.

Publication Date:
Other Number(s):
mp-11610
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PrCo4B; B-Co-Pr
OSTI Identifier:
1188106
DOI:
https://doi.org/10.17188/1188106

Citation Formats

The Materials Project. Materials Data on PrCo4B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188106.
The Materials Project. Materials Data on PrCo4B by Materials Project. United States. doi:https://doi.org/10.17188/1188106
The Materials Project. 2020. "Materials Data on PrCo4B by Materials Project". United States. doi:https://doi.org/10.17188/1188106. https://www.osti.gov/servlets/purl/1188106. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188106,
title = {Materials Data on PrCo4B by Materials Project},
author = {The Materials Project},
abstractNote = {PrCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Pr–Co bond lengths are 2.94 Å. All Pr–B bond lengths are 2.96 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.96 Å) and twelve longer (3.24 Å) Pr–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to four Pr, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Co atoms.},
doi = {10.17188/1188106},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}